| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2092-49-1 |
| FDA UNII: | 29PYY1H4BT |
| Category: | flavoring agents |
| IUPAC Name: | divanillin |
| InChI : | InChI=1/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3 |
| Std.InChI: | InChI=1S/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3 |
| InChIKey : | NSTQUZVZBUTVPY-UHFFFAOYAI |
| Std.InChIKey: | NSTQUZVZBUTVPY-UHFFFAOYSA-N |
| SMILES : | COC1=C(C(=CC(=C1)C=O)C2=CC(=CC(=C2O)OC)C=O)O |
| MDL: | MFCD00156888 |
| Molar Refractivity : | 81.47 ± 0.3 cm3 (est) |
| Parachor : | 614.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.651 ± 0.02 (est) |
| Surface Tension : | 57.6 ± 3.0 dyne/cm (est) |
| Density : | 1.356 ± 0.06 g/cm3 (est) |
| Polarizability : | 32.29 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1881 divanillin |
| DG SANTE Food Flavourings: | 05.221 6,6'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde |
| FEMA Number: | 4107 divanillin |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2092-49-1 ; DIVANILLIN |
| Appearance: | white to pale yellow solid (est) |
| Assay: | 91.40 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 315.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 486.00 to 487.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 357.00 °F. TCC ( 180.60 °C. ) (est) |
| logP (o/w): | 0.567 (est) |
| Soluble in: | |
| alcohol | |
| benzyl alcohol | |
| water, 294.8 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| 3,3-Biphenyldicarboxaldehyde, 6,6-dihydroxy-5,5-dimethoxy- (8CI) |
| Parchem |
| divanillin |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarboxaldehyde technical grade, 90% |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for divanillin usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.61 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 7000 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 30.00000 | 50.00000 | |
| beverages(nonalcoholic): | 5.00000 | 15.00000 | |
| beverages(alcoholic): | 15.00000 | 30.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 100.00000 | 200.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 10.00000 | 20.00000 | |
| egg products: | - | - | |
| fats / oils: | 15.00000 | 20.00000 | |
| fish products: | - | - | |
| frozen dairy: | 10.00000 | 20.00000 | |
| fruit ices: | 10.00000 | 20.00000 | |
| gelatins / puddings: | 15.00000 | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 30.00000 | 50.00000 | |
| imitation dairy: | 10.00000 | 30.00000 | |
| instant coffee / tea: | 10.00000 | 20.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 10.00000 | 40.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 30.00000 | |
| snack foods: | - | - | |
| soft candy: | 20.00000 | 40.00000 | |
| soups: | 10.00000 | 30.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 10.00000 | 40.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 15.00000 | 20.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 20.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 20.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - | |
| Bakery wares (07.0): | 30.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 10.00000 | 30.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 15.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 15.00000 | 30.00000 | |
| Ready-to-eat savouries (15.0): | 30.00000 | 50.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 10.00000 | 20.00000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :95086 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde |
| Chemidplus:0002092491 |
| 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 95086 |
| Pubchem (sid): | 135053605 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB32245 |
| FooDB: | FDB009334 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| 3,3'- | biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy- |
| 5,5'- | bivanillin |
| dehydrodivanillin | |
| 6,6'- | dihydroxy-5,5'-dimethoxy-(1,1'-biphenyl)-3,3'-dicarboxaldehyde |
| 6,6'- | dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarboxaldehyde |
| 6,6'- | dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde |
| 3-(5- | formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde |
| 3-(3- | formyl-6-hydroxy-5-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde |
| None found yet. Try the PubMed Search. |
